smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCS(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000092778652 349505456 /nfs/dbraw/zinc/50/54/56/349505456.db2.gz BMVBDFYBHIVNNN-SNVBAGLBSA-N -1 0 287.341 0.351 10 0 CCAERM NC(=O)C1CCN(C(=O)c2ccncc2C(=O)[O-])CC1 ZINC000083238417 178365381 /nfs/dbraw/zinc/36/53/81/178365381.db2.gz HQTINFFWQFINAR-UHFFFAOYSA-N -1 0 277.280 0.117 10 0 CCAERM CCC(CC)N1C(=O)C[C@@H](N(CC)CC(=O)[O-])C1=O ZINC000038018053 282185437 /nfs/dbraw/zinc/18/54/37/282185437.db2.gz UINIVIKNXDSVSJ-SNVBAGLBSA-N -1 0 270.329 0.709 10 0 CCAERM NC(=O)[C@H]1CCCN(C(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000261573508 137009145 /nfs/dbraw/zinc/00/91/45/137009145.db2.gz ASHJMEWLTDEAPM-VIFPVBQESA-N -1 0 268.313 0.355 10 0 CCAERM Cc1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1C ZINC000262416333 137042946 /nfs/dbraw/zinc/04/29/46/137042946.db2.gz PYXNFELXWDVBHP-IINYFYTJSA-N -1 0 293.323 0.292 10 0 CCAERM Cc1cnc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cn1 ZINC000262898526 137055195 /nfs/dbraw/zinc/05/51/95/137055195.db2.gz ZSUZUKBYGYEAFG-GXSJLCMTSA-N -1 0 279.296 0.395 10 0 CCAERM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262897861 137055267 /nfs/dbraw/zinc/05/52/67/137055267.db2.gz ILIRCDSWJPUNBB-SCZZXKLOSA-N -1 0 255.245 0.993 10 0 CCAERM COCc1cc(NC(=O)[C@H](C)NC(C)=O)cc(C(=O)[O-])c1 ZINC000263156238 137059150 /nfs/dbraw/zinc/05/91/50/137059150.db2.gz XTTVSFKNKZTOIQ-QMMMGPOBSA-N -1 0 294.307 0.994 10 0 CCAERM CC(C)C[C@@H](NC(=O)[C@H](C)N1CCOCC1)C(=O)[O-] ZINC000262190314 137030101 /nfs/dbraw/zinc/03/01/01/137030101.db2.gz GPRWTEGYOHFSSC-WDEREUQCSA-N -1 0 272.345 0.323 10 0 CCAERM CC(C)CS(=O)(=O)CC(=O)N[C@H](C)CCC(=O)[O-] ZINC000262204896 137030875 /nfs/dbraw/zinc/03/08/75/137030875.db2.gz WTPVKSQLFXQUSM-SECBINFHSA-N -1 0 279.358 0.427 10 0 CCAERM CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000262283084 137035110 /nfs/dbraw/zinc/03/51/10/137035110.db2.gz 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CCC[C@H](NC(=O)NCc1noc(C)n1)C(=O)[O-] ZINC000227409182 352050321 /nfs/dbraw/zinc/05/03/21/352050321.db2.gz OQYDAPKFNMSUNT-ZETCQYMHSA-N -1 0 256.262 0.431 10 0 CCAERM CO[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000247810786 352425960 /nfs/dbraw/zinc/42/59/60/352425960.db2.gz CLZAWLKDDFKDOE-NSHDSACASA-N -1 0 284.337 0.517 10 0 CCAERM O=C([O-])c1ccc(NC(=O)C(=S)N2CCOCC2)cc1 ZINC000256030105 352546636 /nfs/dbraw/zinc/54/66/36/352546636.db2.gz JJKAOWZNSOQDOW-UHFFFAOYSA-N -1 0 294.332 0.983 10 0 CCAERM CC[C@H](C)[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC000251623192 352510915 /nfs/dbraw/zinc/51/09/15/352510915.db2.gz BMHSLWVUQXTUDB-IVZWLZJFSA-N -1 0 279.358 0.584 10 0 CCAERM C[C@H](NC(=O)c1ncncc1Br)C(=O)[O-] ZINC000307071057 354178139 /nfs/dbraw/zinc/17/81/39/354178139.db2.gz WKTMBNYOIHJMIK-BYPYZUCNSA-N -1 0 274.074 0.442 10 0 CCAERM CCC[C@@]1(C2CC2)NC(=O)N(Cc2nc(=O)n(C)[nH]2)C1=O ZINC000328727344 202028977 /nfs/dbraw/zinc/02/89/77/202028977.db2.gz DCJYIKCZINWUOI-ZDUSSCGKSA-N -1 0 293.327 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0.655 10 0 CCAERM CC(C)(C)OC(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC000012954822 170523168 /nfs/dbraw/zinc/52/31/68/170523168.db2.gz QIHZXRJAHXMAAU-ZETCQYMHSA-N -1 0 256.262 0.256 10 0 CCAERM Cc1ccccc1C(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000019268513 170766127 /nfs/dbraw/zinc/76/61/27/170766127.db2.gz HYLAQIMSJULEAD-SNVBAGLBSA-N -1 0 264.281 0.444 10 0 CCAERM Cc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(C)c1 ZINC000019274219 170768439 /nfs/dbraw/zinc/76/84/39/170768439.db2.gz FXGYKSKRYDPREC-NSHDSACASA-N -1 0 278.308 0.752 10 0 CCAERM COc1ccc(NS(=O)(=O)CCCC(=O)[O-])cn1 ZINC000020244886 171097724 /nfs/dbraw/zinc/09/77/24/171097724.db2.gz RHHGSAPJRREVHO-UHFFFAOYSA-N -1 0 274.298 0.697 10 0 CCAERM COc1ccc(CCNS(=O)(=O)CC(=O)[O-])cc1 ZINC000020245438 171098317 /nfs/dbraw/zinc/09/83/17/171098317.db2.gz WWSMEWKVTRDWHG-UHFFFAOYSA-N -1 0 273.310 0.242 10 0 CCAERM O=C([O-])CCS(=O)(=O)N1CCCC[C@@H]1CCO ZINC000020245183 171098426 /nfs/dbraw/zinc/09/84/26/171098426.db2.gz VQKMWJMYPPWSBM-SECBINFHSA-N -1 0 265.331 0.028 10 0 CCAERM CSCC[C@@H](NC(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000020249568 171102708 /nfs/dbraw/zinc/10/27/08/171102708.db2.gz HUJRPRQRLRTHMW-SECBINFHSA-N -1 0 271.342 0.665 10 0 CCAERM CSCC[C@@H](NC(=O)CCn1cccn1)C(=O)[O-] ZINC000020258251 171113195 /nfs/dbraw/zinc/11/31/95/171113195.db2.gz KORVXIXLYLGQTM-SECBINFHSA-N -1 0 271.342 0.596 10 0 CCAERM COCCN1C(=O)CO[C@@H](C(=O)[O-])[C@@H]1c1ccc(C)cc1 ZINC000020273300 171128997 /nfs/dbraw/zinc/12/89/97/171128997.db2.gz VXLWPDIYODBOBD-UONOGXRCSA-N -1 0 293.319 0.995 10 0 CCAERM NC(=O)[C@H]1CCCN1c1ccc(Cl)c(C(=O)[O-])n1 ZINC000020295388 171135653 /nfs/dbraw/zinc/13/56/53/171135653.db2.gz RASVHRMVIXCNNY-SSDOTTSWSA-N -1 0 269.688 0.887 10 0 CCAERM C[C@@H](O)[C@@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000020304973 171142031 /nfs/dbraw/zinc/14/20/31/171142031.db2.gz WGPFMIKDSHVMIJ-KSBSHMNSSA-N -1 0 289.690 0.972 10 0 CCAERM Cc1ccc(C(=O)N[C@H](CC(N)=O)C(=O)[O-])c(C)c1 ZINC000021956174 171341440 /nfs/dbraw/zinc/34/14/40/171341440.db2.gz 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172010760 /nfs/dbraw/zinc/01/07/60/172010760.db2.gz LPDCYXSAWMIDCK-FCZSHJHJSA-N -1 0 297.332 0.908 10 0 CCAERM O=c1[n-]c(=O)c(NCCc2ccc(F)cc2)n[nH]1 ZINC000035179833 172032806 /nfs/dbraw/zinc/03/28/06/172032806.db2.gz WPKVAOBVCAMETR-UHFFFAOYSA-N -1 0 250.233 0.252 10 0 CCAERM CCCNS(=O)(=O)c1ccccc1NCC(=O)[O-] ZINC000035353748 172144995 /nfs/dbraw/zinc/14/49/95/172144995.db2.gz JYZQYECVZCZRKJ-UHFFFAOYSA-N -1 0 272.326 0.871 10 0 CCAERM CC[C@H](NC(=O)[C@H](NC(N)=O)c1ccccc1)C(=O)[O-] ZINC000035408958 172179511 /nfs/dbraw/zinc/17/95/11/172179511.db2.gz PYUFQFCOMRNYEQ-VHSXEESVSA-N -1 0 279.296 0.375 10 0 CCAERM COCCS(=O)(=O)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432121 172200527 /nfs/dbraw/zinc/20/05/27/172200527.db2.gz XQIULVKMECDBMY-UHFFFAOYSA-N -1 0 262.283 0.847 10 0 CCAERM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCCO)c1C ZINC000035601014 172289473 /nfs/dbraw/zinc/28/94/73/172289473.db2.gz DFZDOEOVASMSFS-UHFFFAOYSA-N -1 0 287.337 0.662 10 0 CCAERM CSCC[C@H](NC(=O)c1c(C)n[nH]c1C)C(=O)[O-] ZINC000036167102 172483458 /nfs/dbraw/zinc/48/34/58/172483458.db2.gz SBISPJPCWZPSOP-QMMMGPOBSA-N -1 0 271.342 0.963 10 0 CCAERM CCC[C@](C)(NC(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000036337806 172622016 /nfs/dbraw/zinc/62/20/16/172622016.db2.gz PSCNXYUFMCHRKO-JTQLQIEISA-N -1 0 265.331 0.181 10 0 CCAERM CCC[C@](C)(NC(=O)c1c[nH]c(=O)cn1)C(=O)[O-] ZINC000036339615 172623804 /nfs/dbraw/zinc/62/38/04/172623804.db2.gz LPDPDGTWYWPIGC-NSHDSACASA-N -1 0 253.258 0.143 10 0 CCAERM CC(=O)N(C)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000036978052 172845130 /nfs/dbraw/zinc/84/51/30/172845130.db2.gz UONQOMYOQIRADL-GFCCVEGCSA-N -1 0 278.308 0.797 10 0 CCAERM O=C([O-])c1cccc(S(=O)(=O)CCN2CCOCC2)c1 ZINC000037309864 173112688 /nfs/dbraw/zinc/11/26/88/173112688.db2.gz BXCNPXMMVFYRGT-UHFFFAOYSA-N -1 0 299.348 0.491 10 0 CCAERM O=C([O-])CSCC(=O)NC(=O)Cc1ccccc1 ZINC000037429446 173199993 /nfs/dbraw/zinc/19/99/93/173199993.db2.gz XLLZNBZXWHIFBB-UHFFFAOYSA-N -1 0 267.306 0.690 10 0 CCAERM Cc1cccc(OCC(=O)N[C@H](CO)C(=O)[O-])c1C 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-1 0 298.261 0.806 10 0 CCAERM Cc1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)c(C)c1 ZINC000706533140 977349969 /nfs/dbraw/zinc/34/99/69/977349969.db2.gz APDWAAOJGKNYKE-UHFFFAOYSA-N -1 0 264.281 0.967 10 0 CCAERM C[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@H]1C ZINC000706933379 977369066 /nfs/dbraw/zinc/36/90/66/977369066.db2.gz CIOWHQGPXIIEKL-WDSKDSINSA-N -1 0 276.339 0.870 10 0 CCAERM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCCCF)C1 ZINC000707479492 977392370 /nfs/dbraw/zinc/39/23/70/977392370.db2.gz QODIPMGMWZJKAL-NSHDSACASA-N -1 0 262.281 0.621 10 0 CCAERM COC1(CNC(=O)N2CC[C@](OC)(C(=O)[O-])C2)CCC1 ZINC000707496069 977394547 /nfs/dbraw/zinc/39/45/47/977394547.db2.gz XDHZYOIWMSNWJW-CYBMUJFWSA-N -1 0 286.328 0.441 10 0 CCAERM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000707979259 977408717 /nfs/dbraw/zinc/40/87/17/977408717.db2.gz OLYWRCJAFFKJCG-QNSHHTMESA-N -1 0 256.302 0.080 10 0 CCAERM CC[C@H](NC(C)=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000707994931 977411260 /nfs/dbraw/zinc/41/12/60/977411260.db2.gz CIFGTVHVXMTZNS-QMMMGPOBSA-N -1 0 267.285 0.875 10 0 CCAERM CC(=O)N1CCC[C@@H]1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000708008126 977412362 /nfs/dbraw/zinc/41/23/62/977412362.db2.gz VUEAKUQSPPGBIT-BXKDBHETSA-N -1 0 286.353 0.074 10 0 CCAERM CC(=O)N1CCC[C@@H]1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000708019699 977412462 /nfs/dbraw/zinc/41/24/62/977412462.db2.gz HXMMQJRUQYDCKT-ZWNOBZJWSA-N -1 0 268.313 0.367 10 0 CCAERM Cn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)[nH]c1=O ZINC000708343638 977423795 /nfs/dbraw/zinc/42/37/95/977423795.db2.gz JLCXWZUCHMIGAF-SNVBAGLBSA-N -1 0 275.264 0.681 10 0 CCAERM Cn1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)[nH]c1=O ZINC000708366116 977425151 /nfs/dbraw/zinc/42/51/51/977425151.db2.gz QBZQIOOBEOKTCR-SNVBAGLBSA-N -1 0 281.312 0.889 10 0 CCAERM Cn1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)[nH]c1=O ZINC000708357520 977425431 /nfs/dbraw/zinc/42/54/31/977425431.db2.gz LQOGYZQFPHUPIZ-UHFFFAOYSA-N -1 0 289.291 0.853 10 0 CCAERM Cc1conc1CNC(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC000708362192 977425541 /nfs/dbraw/zinc/42/55/41/977425541.db2.gz PTDHIHWZPLNRKG-IONNQARKSA-N -1 0 269.257 0.024 10 0 CCAERM CC(C)N1CC[C@H](NC(=O)NCC2(C(=O)[O-])CC2)C1=O ZINC000708612314 977439705 /nfs/dbraw/zinc/43/97/05/977439705.db2.gz CBPNNCOQBAWXAK-VIFPVBQESA-N -1 0 283.328 0.160 10 0 CCAERM CCC(CC)(CNC(=O)[C@H]1CCCC(=O)N1)C(=O)[O-] ZINC000709647991 977464729 /nfs/dbraw/zinc/46/47/29/977464729.db2.gz ATDYKPADXFIKRK-SECBINFHSA-N -1 0 270.329 0.662 10 0 CCAERM CC1(C)C[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])C(C)(C)O1 ZINC000709653512 977465790 /nfs/dbraw/zinc/46/57/90/977465790.db2.gz RENQTAOTPYZJEZ-DTWKUNHWSA-N -1 0 273.329 0.532 10 0 CCAERM O=C([O-])C1CC(NC(=O)NCCc2ccns2)C1 ZINC000709948135 977473983 /nfs/dbraw/zinc/47/39/83/977473983.db2.gz BOMYHTVMBFQBLE-UHFFFAOYSA-N -1 0 269.326 0.848 10 0 CCAERM O=C([O-])[C@@H]1C[C@@H](O)CN(c2cc(C3CC3)ncn2)C1 ZINC000710082369 977479185 /nfs/dbraw/zinc/47/91/85/977479185.db2.gz NEHBZNACOYZEDC-NXEZZACHSA-N -1 0 263.297 0.626 10 0 CCAERM C[C@H]1CN(C(=O)NCc2ccn(C)n2)C[C@]1(C)C(=O)[O-] ZINC000710329941 977504787 /nfs/dbraw/zinc/50/47/87/977504787.db2.gz KIPFHBSIERCQIB-ZANVPECISA-N -1 0 280.328 0.672 10 0 CCAERM O=C([O-])CNC(=O)CNC(=O)c1cscc1Cl ZINC000711240893 977531103 /nfs/dbraw/zinc/53/11/03/977531103.db2.gz HPFAIDDFPSSFAW-UHFFFAOYSA-N -1 0 276.701 0.332 10 0 CCAERM O=C([O-])c1cc(C(=O)N2C[C@@H]3CSC[C@@H]3C2)on1 ZINC000711578698 977552503 /nfs/dbraw/zinc/55/25/03/977552503.db2.gz XCJHOUOQGZUPKQ-KNVOCYPGSA-N -1 0 268.294 0.808 10 0 CCAERM Cn1nccc1S(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711592447 977553127 /nfs/dbraw/zinc/55/31/27/977553127.db2.gz DCGNCIZBYWRFPU-SKDRFNHKSA-N -1 0 299.352 0.438 10 0 CCAERM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712324838 977580496 /nfs/dbraw/zinc/58/04/96/977580496.db2.gz ALFPQIKHNAZKCT-VLEAKVRGSA-N -1 0 253.298 0.469 10 0 CCAERM COc1cc(C(=O)[O-])ccc1OCCn1cnnn1 ZINC000712608677 977586585 /nfs/dbraw/zinc/58/65/85/977586585.db2.gz NRJQCKVPUZNKOJ-UHFFFAOYSA-N -1 0 264.241 0.459 10 0 CCAERM COCC(C)(C)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000712767376 977590634 /nfs/dbraw/zinc/59/06/34/977590634.db2.gz GKQQAANXKQKPEU-ZJUUUORDSA-N -1 0 293.385 0.832 10 0 CCAERM C[C@@H]1COC[C@@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000712810443 977601238 /nfs/dbraw/zinc/60/12/38/977601238.db2.gz FGPOUASUOSATGH-IMSYWVGJSA-N -1 0 277.342 0.194 10 0 CCAERM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@H]2CCSC2)C1 ZINC000712856382 977612630 /nfs/dbraw/zinc/61/26/30/977612630.db2.gz CVWKRXDHGNFSNV-BBBLOLIVSA-N -1 0 293.410 0.912 10 0 CCAERM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)N1CCSCC1)C2 ZINC000712943893 977620778 /nfs/dbraw/zinc/62/07/78/977620778.db2.gz OMYCTYMYFWEVAY-PTRXPTGYSA-N -1 0 270.354 0.998 10 0 CCAERM COCCN(CCF)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000712943185 977620989 /nfs/dbraw/zinc/62/09/89/977620989.db2.gz MVNJXGKPYMGVDW-OPQQBVKSSA-N -1 0 288.319 0.867 10 0 CCAERM CO[C@H]1C[C@H](CNC(=O)NCC(C)(C)C(=O)[O-])C1 ZINC000714623534 977676216 /nfs/dbraw/zinc/67/62/16/977676216.db2.gz FRSRTLXOGHYLHM-KYZUINATSA-N -1 0 258.318 0.821 10 0 CCAERM CCO[C@H]1CCN(C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000714924705 977683862 /nfs/dbraw/zinc/68/38/62/977683862.db2.gz MRDFYLMPJGDSNM-GUBZILKMSA-N -1 0 256.302 0.528 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1O ZINC000715111965 977692040 /nfs/dbraw/zinc/69/20/40/977692040.db2.gz PYHXSWCELGORIC-LDYMZIIASA-N -1 0 265.265 0.612 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC000715124896 977693144 /nfs/dbraw/zinc/69/31/44/977693144.db2.gz SQOZNWSEURGCKK-GMTAPVOTSA-N -1 0 283.324 0.409 10 0 CCAERM CCOC(C)(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC000715147596 977695677 /nfs/dbraw/zinc/69/56/77/977695677.db2.gz BBPXCGGTCMMPRA-RKDXNWHRSA-N -1 0 259.302 0.407 10 0 CCAERM Cc1ccoc1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC000715153809 977696878 /nfs/dbraw/zinc/69/68/78/977696878.db2.gz BLEZYLPNDDCNMI-PSASIEDQSA-N -1 0 253.254 0.808 10 0 CCAERM CC(=O)NC1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000715287513 977726243 /nfs/dbraw/zinc/72/62/43/977726243.db2.gz QQXSPCVOJSQDMD-MWLCHTKSSA-N -1 0 283.328 0.017 10 0 CCAERM CC(C)C1(O)CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000715291538 977726990 /nfs/dbraw/zinc/72/69/90/977726990.db2.gz YLGDLFCEOYDXNI-GHMZBOCLSA-N -1 0 284.356 0.900 10 0 CCAERM CC[C@@H]1[C@H](CO)CCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC000715322977 977741285 /nfs/dbraw/zinc/74/12/85/977741285.db2.gz DUHJQXKPNDGYST-LNFKQOIKSA-N -1 0 270.329 0.510 10 0 CCAERM C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC000715348330 977748502 /nfs/dbraw/zinc/74/85/02/977748502.db2.gz LVQHMLYRHNHKSE-DJLDLDEBSA-N -1 0 296.348 0.703 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000715504409 977760437 /nfs/dbraw/zinc/76/04/37/977760437.db2.gz DWAVUFUVZONHCM-ZRUFSTJUSA-N -1 0 268.313 0.528 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCCSCC1 ZINC000715503758 977760538 /nfs/dbraw/zinc/76/05/38/977760538.db2.gz AMTQONYKBSTSRE-NXEZZACHSA-N -1 0 288.369 0.625 10 0 CCAERM CC1(C)CC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC000715507240 977761751 /nfs/dbraw/zinc/76/17/51/977761751.db2.gz RSLPGFULOJMQFZ-PSASIEDQSA-N -1 0 270.329 0.964 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(F)CC1 ZINC000715521354 977764780 /nfs/dbraw/zinc/76/47/80/977764780.db2.gz YGNCJWGJCDTSNP-PSASIEDQSA-N -1 0 274.292 0.620 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C2CC2)C1 ZINC000715523964 977764800 /nfs/dbraw/zinc/76/48/00/977764800.db2.gz ANDBBSMFEKNGLQ-IJLUTSLNSA-N -1 0 282.340 0.918 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccnc1 ZINC000715539792 977766827 /nfs/dbraw/zinc/76/68/27/977766827.db2.gz IWZGHTJZAGQBHQ-PSASIEDQSA-N -1 0 265.269 0.693 10 0 CCAERM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCOC1 ZINC000715575484 977772531 /nfs/dbraw/zinc/77/25/31/977772531.db2.gz XWZWIHAZOUOMBT-GMTAPVOTSA-N -1 0 286.328 0.202 10 0 CCAERM CC(C)(O)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000716367993 977834233 /nfs/dbraw/zinc/83/42/33/977834233.db2.gz YUIMMQAFCQJTNT-MNOVXSKESA-N -1 0 285.340 0.628 10 0 CCAERM CC[C@H](C[C@H](C)O)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000716928217 977865790 /nfs/dbraw/zinc/86/57/90/977865790.db2.gz GBOHIJBZHBHKGX-IONNQARKSA-N -1 0 291.325 0.806 10 0 CCAERM Cc1cc(C(=O)[O-])oc1C(=O)N1CCSC[C@H]1CO ZINC000717189847 977874693 /nfs/dbraw/zinc/87/46/93/977874693.db2.gz JOKQUARLPOKOAM-MRVPVSSYSA-N -1 0 285.321 0.836 10 0 CCAERM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000717220738 977879454 /nfs/dbraw/zinc/87/94/54/977879454.db2.gz FAMXWNHQRFJCSG-OCAPTIKFSA-N -1 0 280.280 0.622 10 0 CCAERM Cc1cc(C(=O)[O-])oc1C(=O)N1CCOC[C@H]1CCO ZINC000717249496 977887353 /nfs/dbraw/zinc/88/73/53/977887353.db2.gz VJVJJTJHXVRPDA-SECBINFHSA-N -1 0 283.280 0.510 10 0 CCAERM Cc1ccc(S(=O)(=O)NC/C=C\CO)cc1C(=O)[O-] ZINC000717454890 977901573 /nfs/dbraw/zinc/90/15/73/977901573.db2.gz 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280.284 0.933 10 0 CCAERM Cn1nc(C(=O)[O-])cc1NC(=O)NCc1cnccn1 ZINC000725236236 978289577 /nfs/dbraw/zinc/28/95/77/978289577.db2.gz HRONEBSGGNPHBG-UHFFFAOYSA-N -1 0 276.256 0.230 10 0 CCAERM C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N1CCOCC1 ZINC000104269876 349713598 /nfs/dbraw/zinc/71/35/98/349713598.db2.gz KASAOUNOAADNEN-JGVFFNPUSA-N -1 0 260.315 0.287 10 0 CCAERM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])N1CCOCC1 ZINC000262610912 295724661 /nfs/dbraw/zinc/72/46/61/295724661.db2.gz AQRIVFJCDMUBBL-QWRGUYRKSA-N -1 0 270.329 0.173 10 0 CCAERM COC[C@@H]1CN(C(=O)CC(C)(C)C(=O)[O-])CCO1 ZINC000367463403 232349472 /nfs/dbraw/zinc/34/94/72/232349472.db2.gz GPSDQTVXJOIEET-VIFPVBQESA-N -1 0 259.302 0.361 10 0 CCAERM O=C([O-])Cn1cc(CNC(=O)CSC(F)(F)F)nn1 ZINC000262770962 137052699 /nfs/dbraw/zinc/05/26/99/137052699.db2.gz HFOVJRWOIWCGGT-UHFFFAOYSA-N -1 0 298.246 0.232 10 0 CCAERM CCc1oc(C(=O)N[C@@H](C(N)=O)C(C)C)cc1C(=O)[O-] ZINC000261697625 137015897 /nfs/dbraw/zinc/01/58/97/137015897.db2.gz SNFZNGZKZNEWKF-SNVBAGLBSA-N -1 0 282.296 0.780 10 0 CCAERM O=C([O-])c1cccc(CC(=O)N[C@H]2CCCNC2=O)c1 ZINC000262224726 137032090 /nfs/dbraw/zinc/03/20/90/137032090.db2.gz VVGULQFNZYJQQE-NSHDSACASA-N -1 0 276.292 0.322 10 0 CCAERM CCC[C@@H](NS(=O)(=O)NCc1ccccc1)C(=O)[O-] ZINC000263487528 137067132 /nfs/dbraw/zinc/06/71/32/137067132.db2.gz NFBHHNNHPQGUFD-LLVKDONJSA-N -1 0 286.353 0.864 10 0 CCAERM CCN1CCN(Cc2ccc(C(=O)[O-])s2)C(=O)C1=O ZINC000103925156 185862231 /nfs/dbraw/zinc/86/22/31/185862231.db2.gz HIDGWHNOVFVIPZ-UHFFFAOYSA-N -1 0 282.321 0.637 10 0 CCAERM Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000001667535 347959537 /nfs/dbraw/zinc/95/95/37/347959537.db2.gz ATEAASNFYTUARU-UHFFFAOYSA-N -1 0 256.312 0.921 10 0 CCAERM CS(=O)(=O)N1[C@@H](C(F)(F)F)SC[C@@H]1C(=O)[O-] ZINC000004243216 347991021 /nfs/dbraw/zinc/99/10/21/347991021.db2.gz IMXFHEHNQDZTMR-NQXXGFSBSA-N -1 0 279.261 0.336 10 0 CCAERM CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1CC1)C(C)C)C(=O)[O-] ZINC000039045286 348227941 /nfs/dbraw/zinc/22/79/41/348227941.db2.gz BBADYJQNYWPGAO-QWRGUYRKSA-N -1 0 284.356 0.763 10 0 CCAERM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000040396377 348232982 /nfs/dbraw/zinc/23/29/82/348232982.db2.gz DGYQEDUIKBNOEY-JIVBQCDMSA-N -1 0 297.332 0.507 10 0 CCAERM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)[O-] ZINC000040385952 348233065 /nfs/dbraw/zinc/23/30/65/348233065.db2.gz LWLIKYVTRGFSHC-LSJOCFKGSA-N -1 0 272.345 0.763 10 0 CCAERM CCOCCS(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000063153826 348678523 /nfs/dbraw/zinc/67/85/23/348678523.db2.gz GDLHDVNQUYPCJD-NXEZZACHSA-N -1 0 279.358 0.586 10 0 CCAERM CC[C@@H](NC(=O)N(C)C[C@@H]1CCCOC1)C(=O)[O-] ZINC000089069344 179696260 /nfs/dbraw/zinc/69/62/60/179696260.db2.gz DDFNRCKVZYZRTL-VHSXEESVSA-N -1 0 258.318 0.918 10 0 CCAERM C[C@@H](C(=O)[O-])S(=O)(=O)N1CCSC[C@H]1C ZINC000069761074 348860529 /nfs/dbraw/zinc/86/05/29/348860529.db2.gz ASOFWSGBIGCBHM-RQJHMYQMSA-N -1 0 253.345 0.227 10 0 CCAERM COC(=O)C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000071337748 348908183 /nfs/dbraw/zinc/90/81/83/348908183.db2.gz NAZLXRBFWGCMIK-AEJSXWLSSA-N -1 0 286.328 0.975 10 0 CCAERM CCOC(=O)CCC(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC000104271536 185950436 /nfs/dbraw/zinc/95/04/36/185950436.db2.gz VFFNSILHMOOJEI-HTQZYQBOSA-N -1 0 275.326 0.704 10 0 CCAERM CCOC(=O)c1cccc2[n-]c(S(N)(=O)=O)nc21 ZINC000079629849 349185480 /nfs/dbraw/zinc/18/54/80/349185480.db2.gz IBBWNQQXGHUETG-UHFFFAOYSA-N -1 0 269.282 0.387 10 0 CCAERM COC(=O)c1cc(S(N)(=O)=O)c(Br)[n-]1 ZINC000082163199 349292115 /nfs/dbraw/zinc/29/21/15/349292115.db2.gz AKYKRVQOXZQCBZ-UHFFFAOYSA-N -1 0 283.103 0.211 10 0 CCAERM COC[C@H]1CCN(C(=O)N[C@@H](CCSC)C(=O)[O-])C1 ZINC000081106188 349246125 /nfs/dbraw/zinc/24/61/25/349246125.db2.gz GXJGLJIIYZKQMY-UWVGGRQHSA-N -1 0 290.385 0.871 10 0 CCAERM COC[C@H]1CCN(C(=O)N[C@H](CCSC)C(=O)[O-])C1 ZINC000081106192 349246510 /nfs/dbraw/zinc/24/65/10/349246510.db2.gz GXJGLJIIYZKQMY-VHSXEESVSA-N -1 0 290.385 0.871 10 0 CCAERM C[C@@H]1CCC[C@H](C)N1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000089697180 349400583 /nfs/dbraw/zinc/40/05/83/349400583.db2.gz JWPYBWVRLLRYSL-AOOOYVTPSA-N -1 0 295.343 0.949 10 0 CCAERM O=C([O-])COC1CCN(C(=O)c2cnsn2)CC1 ZINC000104390733 185990085 /nfs/dbraw/zinc/99/00/85/185990085.db2.gz PHGBHNCXRILYKW-UHFFFAOYSA-N -1 0 271.298 0.244 10 0 CCAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)NCc2cscn2)C1 ZINC000104436682 186001237 /nfs/dbraw/zinc/00/12/37/186001237.db2.gz KCFVSSRYSQORQA-IUCAKERBSA-N -1 0 285.325 0.527 10 0 CCAERM C[C@@H]1CCN(C(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)C1 ZINC000126701854 350152444 /nfs/dbraw/zinc/15/24/44/350152444.db2.gz YXFZFCFFQLMGEU-PSASIEDQSA-N -1 0 266.301 0.597 10 0 CCAERM CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)[O-] ZINC000091303930 180130768 /nfs/dbraw/zinc/13/07/68/180130768.db2.gz ARWLIMOJIMFGRX-XGEHTFHBSA-N -1 0 257.286 0.830 10 0 CCAERM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H]([C@H]2O)N(c2ccccc2)C(=O)[C@H]13 ZINC000138606933 350441973 /nfs/dbraw/zinc/44/19/73/350441973.db2.gz CBHZOMBZIVBSJJ-QYKGAGETSA-N -1 0 273.288 0.729 10 0 CCAERM CC(C)C[C@H](CNC(=O)N1CCO[C@@H](CO)C1)C(=O)[O-] ZINC000167336950 350808906 /nfs/dbraw/zinc/80/89/06/350808906.db2.gz RKBGNPUKNNKQAW-GHMZBOCLSA-N -1 0 288.344 0.136 10 0 CCAERM C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)ccc2O)CCO1 ZINC000175240180 351123408 /nfs/dbraw/zinc/12/34/08/351123408.db2.gz NWXNBHMMMHLLAF-LLVKDONJSA-N -1 0 282.315 0.934 10 0 CCAERM C[NH+](C)C[C@H]1CN(C(=O)c2ccc(F)cc2[O-])CCO1 ZINC000123838148 187111130 /nfs/dbraw/zinc/11/11/30/187111130.db2.gz BRGUTTSAUOAZBO-NSHDSACASA-N -1 0 282.315 0.934 10 0 CCAERM C[S@@](=O)CCCNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000229362206 352090984 /nfs/dbraw/zinc/09/09/84/352090984.db2.gz BWJZDKXBPMKCID-MUXHRQCZSA-N -1 0 275.370 0.762 10 0 CCAERM Cc1cc(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000292463133 198297552 /nfs/dbraw/zinc/29/75/52/198297552.db2.gz PEALSKYORWOVEO-HTQZYQBOSA-N -1 0 293.366 0.477 10 0 CCAERM O=C([N-][C@H]1CC[S@@](=O)C1)C(F)(F)Br ZINC000307411274 354179807 /nfs/dbraw/zinc/17/98/07/354179807.db2.gz HCZIAUQLNNXUGB-ANLJXJSMSA-N -1 0 276.102 0.611 10 0 CCAERM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)CC(F)(F)F ZINC000332509389 354690451 /nfs/dbraw/zinc/69/04/51/354690451.db2.gz WWUGAZKSYMYYRU-PHDIDXHHSA-N -1 0 281.321 0.581 10 0 CCAERM COCCOCC(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000377390476 357569920 /nfs/dbraw/zinc/56/99/20/357569920.db2.gz JRNGPJIXMVGRQK-MFKMUULPSA-N -1 0 271.313 0.363 10 0 CCAERM NS(=O)(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC000380631423 357705663 /nfs/dbraw/zinc/70/56/63/357705663.db2.gz FIDMVYKWWHISLX-UHFFFAOYSA-N -1 0 257.189 0.938 10 0 CCAERM CCC(=O)N[C@H]1CCCN(C(=O)N=c2[n-]ncs2)C1 ZINC000407992902 357856014 /nfs/dbraw/zinc/85/60/14/357856014.db2.gz JBKXRMWFJWDDRS-QMMMGPOBSA-N -1 0 283.357 0.483 10 0 CCAERM C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)C2COC2)O1 ZINC000408475662 358109066 /nfs/dbraw/zinc/10/90/66/358109066.db2.gz GJTWLXOEKNXYFO-DTWKUNHWSA-N -1 0 277.342 0.179 10 0 CCAERM CC[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000408487014 358109568 /nfs/dbraw/zinc/10/95/68/358109568.db2.gz UUQPMXLLMNESBL-MXWKQRLJSA-N -1 0 291.369 0.427 10 0 CCAERM O=C([O-])CNS(=O)(=O)c1nc2ccccc2s1 ZINC000584609415 359180263 /nfs/dbraw/zinc/18/02/63/359180263.db2.gz LDOQVNDFMUMKLH-UHFFFAOYSA-N -1 0 272.307 0.659 10 0 CCAERM CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000584613154 359181289 /nfs/dbraw/zinc/18/12/89/359181289.db2.gz HCWHRDJKLZSSSB-UHFFFAOYSA-N -1 0 293.304 0.539 10 0 CCAERM O=C([O-])Cn1cnc(I)c1 ZINC000584616934 359181500 /nfs/dbraw/zinc/18/15/00/359181500.db2.gz VPYKERIAXJFPIZ-UHFFFAOYSA-N -1 0 252.011 0.572 10 0 CCAERM O=C([O-])[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)N1 ZINC000584596676 359177641 /nfs/dbraw/zinc/17/76/41/359177641.db2.gz GGNAGTOQYBXSCV-GHMZBOCLSA-N -1 0 276.292 0.282 10 0 CCAERM O=C([O-])C1=CN=C2C=CC(Br)=CN2[C@@H]1O ZINC000585656086 359263467 /nfs/dbraw/zinc/26/34/67/359263467.db2.gz FOCGTUKHXADFDT-MRVPVSSYSA-N -1 0 271.070 0.794 10 0 CCAERM O=C([O-])[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCC2 ZINC000057329638 304106900 /nfs/dbraw/zinc/10/69/00/304106900.db2.gz GORITFZTAGZEAP-JTQLQIEISA-N -1 0 263.297 0.702 10 0 CCAERM NC(=O)N1CCO[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616643815 365402870 /nfs/dbraw/zinc/40/28/70/365402870.db2.gz AQQVNOQUEIDOFX-JTQLQIEISA-N -1 0 250.254 0.837 10 0 CCAERM CS(=O)(=O)N1CCO[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616644529 365403634 /nfs/dbraw/zinc/40/36/34/365403634.db2.gz ZGADLMZAGWQRFD-NSHDSACASA-N -1 0 285.321 0.718 10 0 CCAERM CS(=O)(=O)N1CCO[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616646402 365405486 /nfs/dbraw/zinc/40/54/86/365405486.db2.gz SEMCAJHFCPRWAZ-LLVKDONJSA-N -1 0 285.321 0.718 10 0 CCAERM O=C([O-])[C@@H]1CCOCCN1S(=O)(=O)c1ccccc1 ZINC000616597986 365379713 /nfs/dbraw/zinc/37/97/13/365379713.db2.gz LLZPLQBGMZVNGP-NSHDSACASA-N -1 0 285.321 0.551 10 0 CCAERM O=C([O-])[C@H]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000630434508 370114899 /nfs/dbraw/zinc/11/48/99/370114899.db2.gz XXHYHDRXCXOXSE-DCAQKATOSA-N -1 0 291.369 0.728 10 0 CCAERM CCN(C)C(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000092778240 284289892 /nfs/dbraw/zinc/28/98/92/284289892.db2.gz CLWHJHVSGDICFR-SECBINFHSA-N -1 0 252.274 0.293 10 0 CCAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 ZINC000262198944 304166826 /nfs/dbraw/zinc/16/68/26/304166826.db2.gz HEIXBHXFXAPDLD-ISTVAULSSA-N -1 0 280.324 0.226 10 0 CCAERM O=C([O-])[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCC2 ZINC000057329642 304181113 /nfs/dbraw/zinc/18/11/13/304181113.db2.gz GORITFZTAGZEAP-SNVBAGLBSA-N -1 0 263.297 0.702 10 0 CCAERM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCCC1CCC1 ZINC000656727281 412848220 /nfs/dbraw/zinc/84/82/20/412848220.db2.gz HZZRNUGKJXMEGK-UHFFFAOYSA-N -1 0 287.341 0.967 10 0 CCAERM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1CCCC[C@@H]1CO ZINC000236505413 389168573 /nfs/dbraw/zinc/16/85/73/389168573.db2.gz ZDOFNGQXPAJGHG-HTQZYQBOSA-N -1 0 290.307 0.524 10 0 CCAERM CCC1(S(=O)(=O)[N-]C(=O)c2c[nH]nc2C)CC1 ZINC000408493357 389368723 /nfs/dbraw/zinc/36/87/23/389368723.db2.gz LNJBQBFXHHOJEP-UHFFFAOYSA-N -1 0 257.315 0.720 10 0 CCAERM C[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000408490846 389368744 /nfs/dbraw/zinc/36/87/44/389368744.db2.gz DDHDTCYCLMCNCL-APPZFPTMSA-N -1 0 288.300 0.451 10 0 CCAERM C[C@@H]1CCO[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000408492141 389368797 /nfs/dbraw/zinc/36/87/97/389368797.db2.gz CLHCIWJPYMZXIF-XCBNKYQSSA-N -1 0 288.300 0.451 10 0 CCAERM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)C2COC2)C1 ZINC000408475061 389360579 /nfs/dbraw/zinc/36/05/79/389360579.db2.gz BDBKTYFBUPEWBD-MRVPVSSYSA-N -1 0 261.343 0.658 10 0 CCAERM Cc1cccc(C(=O)[N-]S(=O)(=O)C2COC2)c1 ZINC000408475124 389361142 /nfs/dbraw/zinc/36/11/42/389361142.db2.gz BRCMKKLXQBLJIH-UHFFFAOYSA-N -1 0 255.295 0.453 10 0 CCAERM Cc1cc(C(=O)[N-]S(=O)(=O)C2COC2)oc1C ZINC000408475321 389361994 /nfs/dbraw/zinc/36/19/94/389361994.db2.gz DBRKPVPYSROHOT-UHFFFAOYSA-N -1 0 259.283 0.355 10 0 CCAERM Cc1nc(CC(=O)[N-]S(=O)(=O)C2COC2)c(C)s1 ZINC000408480395 389364661 /nfs/dbraw/zinc/36/46/61/389364661.db2.gz WHDOEMCWFIPLFN-UHFFFAOYSA-N -1 0 290.366 0.147 10 0 CCAERM O=C([N-]S(=O)(=O)C1COC1)c1ccoc1Cl ZINC000408481606 389364837 /nfs/dbraw/zinc/36/48/37/389364837.db2.gz YSJURUQKWKEQOQ-UHFFFAOYSA-N -1 0 265.674 0.391 10 0 CCAERM CC[C@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000408486125 389366604 /nfs/dbraw/zinc/36/66/04/389366604.db2.gz RPFMYQXXUPDVBX-JOYOIKCWSA-N -1 0 285.369 0.970 10 0 CCAERM C[C@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000401491931 389798946 /nfs/dbraw/zinc/79/89/46/389798946.db2.gz HEVKYSQLZODDCY-MMWGEVLESA-N -1 0 270.329 0.652 10 0 CCAERM CC1CC(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)C1 ZINC000647772714 390167677 /nfs/dbraw/zinc/16/76/77/390167677.db2.gz FFHHGBORYQZNIP-SFVIPPHHSA-N -1 0 251.286 0.708 10 0 CCAERM Cc1ccoc1C(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC000643855340 390584238 /nfs/dbraw/zinc/58/42/38/390584238.db2.gz YWCHWZCBVIYLMC-QMMMGPOBSA-N -1 0 276.252 0.289 10 0 CCAERM CCC(C)(C)CC(=O)N1Cc2nncn2C[C@H]1C(=O)[O-] ZINC000643857329 390585136 /nfs/dbraw/zinc/58/51/36/390585136.db2.gz WKAACCYOMMEAOG-VIFPVBQESA-N -1 0 280.328 0.900 10 0 CCAERM CCC(C)(C)CC(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC000643857328 390585324 /nfs/dbraw/zinc/58/53/24/390585324.db2.gz WKAACCYOMMEAOG-SECBINFHSA-N -1 0 280.328 0.900 10 0 CCAERM O=C([O-])[C@]12CN(C(=O)C(F)(F)F)C[C@H]1CCO2 ZINC000575559976 390842193 /nfs/dbraw/zinc/84/21/93/390842193.db2.gz RCXDTEUKHVYLDB-XRGYYRRGSA-N -1 0 253.176 0.251 10 0 CCAERM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262878545 131269989 /nfs/dbraw/zinc/26/99/89/131269989.db2.gz GTSRBUJFGLDYDZ-JGVFFNPUSA-N -1 0 292.332 0.227 10 0 CCAERM Cc1cc(SCC(=O)[O-])nc(N2CCOCC2)n1 ZINC000040351102 134427905 /nfs/dbraw/zinc/42/79/05/134427905.db2.gz YOJRHQOWRJGEET-UHFFFAOYSA-N -1 0 269.326 0.798 10 0 CCAERM CCOc1cc([C@H](O)C(=O)[O-])c(C#N)c([N+](=O)[O-])c1 ZINC000575651143 397581698 /nfs/dbraw/zinc/58/16/98/397581698.db2.gz YLUYIQRIBXTECB-JTQLQIEISA-N -1 0 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0 283.296 0.657 10 0 CCAERM CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCO[C@@H]1C(C)C ZINC000408498184 389369536 /nfs/dbraw/zinc/36/95/36/389369536.db2.gz KTNHHWDSLNFBJV-NXEZZACHSA-N -1 0 263.359 0.904 10 0 CCAERM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)C2COC2)C1 ZINC000408475062 389360633 /nfs/dbraw/zinc/36/06/33/389360633.db2.gz BDBKTYFBUPEWBD-QMMMGPOBSA-N -1 0 261.343 0.658 10 0 CCAERM O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CCCc2ccccc21 ZINC000408476452 389361833 /nfs/dbraw/zinc/36/18/33/389361833.db2.gz LOYGWCGTDSOOTG-CYBMUJFWSA-N -1 0 295.360 0.951 10 0 CCAERM CC1(CC(=O)[N-]S(=O)(=O)C2COC2)CCCC1 ZINC000408475273 389361977 /nfs/dbraw/zinc/36/19/77/389361977.db2.gz CTUGFMGOZQQXBZ-UHFFFAOYSA-N -1 0 261.343 0.802 10 0 CCAERM CC(C)[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000408479780 389363788 /nfs/dbraw/zinc/36/37/88/389363788.db2.gz BNDNHVUCCXWMLW-NEPJUHHUSA-N -1 0 298.364 0.948 10 0 CCAERM O=C(C[C@H]1C=CCCC1)[N-]S(=O)(=O)C1COC1 ZINC000408481163 389364703 /nfs/dbraw/zinc/36/47/03/389364703.db2.gz XSSKKZHVPZQYBP-VIFPVBQESA-N -1 0 259.327 0.578 10 0 CCAERM COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCO[C@H]2C)C1 ZINC000380757414 389764730 /nfs/dbraw/zinc/76/47/30/389764730.db2.gz CPWXYJHUYYDWHC-CWSCBRNRSA-N -1 0 286.328 0.297 10 0 CCAERM C[C@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000401491932 389799073 /nfs/dbraw/zinc/79/90/73/389799073.db2.gz HEVKYSQLZODDCY-UKKRHICBSA-N -1 0 270.329 0.652 10 0 CCAERM CCC[C@H](C)CN1Cc2nncn2C[C@@H]1C(=O)[O-] ZINC000644181994 390158215 /nfs/dbraw/zinc/15/82/15/390158215.db2.gz PJECOWNXLOPDOG-VHSXEESVSA-N -1 0 252.318 0.983 10 0 CCAERM O=C([O-])[C@@H]1Cn2cnnc2CN1C(=O)c1ccsc1 ZINC000643854805 390584367 /nfs/dbraw/zinc/58/43/67/390584367.db2.gz KWSRQLHPAKFNQP-QMMMGPOBSA-N -1 0 278.293 0.449 10 0 CCAERM C[C@@H]1CN([C@@H]2CCCCN(CC(=O)[O-])C2=O)C[C@H](C)O1 ZINC000643871606 390589403 /nfs/dbraw/zinc/58/94/03/390589403.db2.gz BPGOHWFXPFJWBZ-GRYCIOLGSA-N -1 0 284.356 0.561 10 0 CCAERM C[C@H]1OCC[C@@H]1NC(=O)C1(C(=O)[O-])CCOCC1 ZINC000649247094 390536372 /nfs/dbraw/zinc/53/63/72/390536372.db2.gz SZQRXMVWMJXRKL-BDAKNGLRSA-N -1 0 257.286 0.161 10 0 CCAERM CC(C)[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000645942902 390541436 /nfs/dbraw/zinc/54/14/36/390541436.db2.gz ZROODBLLMYFNHN-BDAKNGLRSA-N -1 0 264.347 0.414 10 0 CCAERM O=C([O-])[C@@H]1Cn2cnnc2CN1Cc1ccccc1 ZINC000643881123 390594318 /nfs/dbraw/zinc/59/43/18/390594318.db2.gz DZCUGNJAYQVPFW-NSHDSACASA-N -1 0 258.281 0.747 10 0 CCAERM NS(=O)(=O)[N-][C@@H]1c2c(cc(F)cc2F)CC1(F)F ZINC000584647389 397583715 /nfs/dbraw/zinc/58/37/15/397583715.db2.gz ZDUAYVUFBARRPR-MRVPVSSYSA-N -1 0 284.234 0.990 10 0 CCAERM CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)C2COC2)CCO1 ZINC000408480438 144475444 /nfs/dbraw/zinc/47/54/44/144475444.db2.gz WMSKXUWLQQFRMZ-BDAKNGLRSA-N -1 0 277.342 0.036 10 0 CCAERM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccn2)C[C@@H]1F ZINC000408493244 144477161 /nfs/dbraw/zinc/47/71/61/144477161.db2.gz ADHPPMWLWFRABH-XVKPBYJWSA-N -1 0 258.274 0.635 10 0 CCAERM C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccon2)C[C@@H]1F ZINC000408499809 144477579 /nfs/dbraw/zinc/47/75/79/144477579.db2.gz NFUKGPVZSJHAJP-IONNQARKSA-N -1 0 262.262 0.369 10 0 CCAERM COCCCN(C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000062051698 292329634 /nfs/dbraw/zinc/32/96/34/292329634.db2.gz ICKGUJJLCRQVEN-SNVBAGLBSA-N -1 0 258.318 0.871 10 0 CCAERM Nn1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)OCO2 ZINC000001851545 169760059 /nfs/dbraw/zinc/76/00/59/169760059.db2.gz TYCGEFVJGGTSAQ-UHFFFAOYSA-N -1 0 294.292 0.564 10 0 CCAERM CC(=O)N[C@@H](CS[C@H]1CCCC[C@@H]1O)C(=O)[O-] ZINC000005167431 170073080 /nfs/dbraw/zinc/07/30/80/170073080.db2.gz ORGKYHFOPHPHQL-GUBZILKMSA-N -1 0 261.343 0.612 10 0 CCAERM CCNC(=S)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000006265516 170186685 /nfs/dbraw/zinc/18/66/85/170186685.db2.gz VADUHAVTHJPYNX-MRVPVSSYSA-N -1 0 254.315 0.115 10 0 CCAERM NC(=O)NC(=O)CSc1ncccc1C(=O)[O-] ZINC000006471225 170203773 /nfs/dbraw/zinc/20/37/73/170203773.db2.gz HPWUCAMRWZSQJB-UHFFFAOYSA-N -1 0 255.255 0.067 10 0 CCAERM CC[C@H](C)[C@@H](NC(=O)N1CCC(C(N)=O)CC1)C(=O)[O-] ZINC000008481435 170337523 /nfs/dbraw/zinc/33/75/23/170337523.db2.gz SWKASZUGQAQVCH-WCBMZHEXSA-N -1 0 285.344 0.393 10 0 CCAERM NC(=O)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000019505499 170817465 /nfs/dbraw/zinc/81/74/65/170817465.db2.gz FSYHBJHIUYULAN-YVGDHZEHSA-N -1 0 296.710 0.798 10 0 CCAERM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(Cl)cc1 ZINC000019803424 170872190 /nfs/dbraw/zinc/87/21/90/170872190.db2.gz VZIZRSFZYUQYFG-KOLCDFICSA-N -1 0 299.710 0.765 10 0 CCAERM Cc1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])no1 ZINC000020249811 171102578 /nfs/dbraw/zinc/10/25/78/171102578.db2.gz QTZLGZGFFOZIJK-VIFPVBQESA-N -1 0 264.241 0.132 10 0 CCAERM CC[C@@H](C)[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-] ZINC000020255208 171108936 /nfs/dbraw/zinc/10/89/36/171108936.db2.gz MBEAXHCOQZCPQE-ZJUUUORDSA-N -1 0 278.374 0.806 10 0 CCAERM CN(C)S(=O)(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21 ZINC000020257790 171112735 /nfs/dbraw/zinc/11/27/35/171112735.db2.gz ZDEBNQZASPDBNP-OPRDCNLKSA-N -1 0 276.358 0.511 10 0 CCAERM CN(C)S(=O)(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000020257825 171112818 /nfs/dbraw/zinc/11/28/18/171112818.db2.gz QYGTUYWLGIBMMJ-SNVBAGLBSA-N -1 0 270.310 0.309 10 0 CCAERM CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CSC(=O)N1)C(=O)[O-] ZINC000020259027 171114075 /nfs/dbraw/zinc/11/40/75/171114075.db2.gz KPBSNMOVKQNUJW-DSYKOEDSSA-N -1 0 260.315 0.427 10 0 CCAERM Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000020311276 171144744 /nfs/dbraw/zinc/14/47/44/171144744.db2.gz MKFWTBKTCFTUGM-WDEREUQCSA-N -1 0 299.348 0.512 10 0 CCAERM C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)CC(=O)[O-] ZINC000020421004 171186351 /nfs/dbraw/zinc/18/63/51/171186351.db2.gz RMCPUVNGIROMAR-QMMMGPOBSA-N -1 0 277.342 0.323 10 0 CCAERM C[C@H](C(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000020421403 171186774 /nfs/dbraw/zinc/18/67/74/171186774.db2.gz ZGEPPRALYFHOFH-DTWKUNHWSA-N -1 0 285.321 0.902 10 0 CCAERM CCCCCNC(=O)[C@H](C)S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000020421304 171186782 /nfs/dbraw/zinc/18/67/82/171186782.db2.gz PMNWJJZBRADMIC-DTWKUNHWSA-N -1 0 279.358 0.569 10 0 CCAERM C[C@H]1CN(CCn2cc(C(=O)[O-])nn2)C[C@H](C)O1 ZINC000020596782 171265776 /nfs/dbraw/zinc/26/57/76/171265776.db2.gz JEYMOKKMVDWLHW-IUCAKERBSA-N -1 0 254.290 0.086 10 0 CCAERM COc1ccc(NC(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000022145261 171356182 /nfs/dbraw/zinc/35/61/82/171356182.db2.gz SBDBIRVNBMPUGE-SECBINFHSA-N -1 0 281.268 0.145 10 0 CCAERM NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000022163969 171365037 /nfs/dbraw/zinc/36/50/37/171365037.db2.gz NXEGPDMKTRVCCO-AXFHLTTASA-N -1 0 282.340 0.601 10 0 CCAERM NC(=O)C1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000022169046 171367454 /nfs/dbraw/zinc/36/74/54/171367454.db2.gz HRJASQMVKPNDSZ-QWRGUYRKSA-N -1 0 282.340 0.601 10 0 CCAERM Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cn1 ZINC000022170496 171367956 /nfs/dbraw/zinc/36/79/56/171367956.db2.gz VJAHPXOCCGBQCP-VHSXEESVSA-N -1 0 250.254 0.050 10 0 CCAERM C[C@@H](C(=O)N1CCCCC1)N1CCC[C@@H]1C(=O)[O-] ZINC000035300359 172114165 /nfs/dbraw/zinc/11/41/65/172114165.db2.gz OJKZIGWODZLVAY-WDEREUQCSA-N -1 0 254.330 0.936 10 0 CCAERM C[C@H](C(=O)N1CCCCC1)N1CCC[C@@H]1C(=O)[O-] ZINC000035300363 172114527 /nfs/dbraw/zinc/11/45/27/172114527.db2.gz OJKZIGWODZLVAY-GHMZBOCLSA-N -1 0 254.330 0.936 10 0 CCAERM CC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)C(=O)[O-] ZINC000035409241 172179273 /nfs/dbraw/zinc/17/92/73/172179273.db2.gz JMAXWRMFJHEFKD-IUCAKERBSA-N -1 0 256.302 0.223 10 0 CCAERM O=C([O-])c1ccc(NC(=O)C2=NNC(=O)CC2)s1 ZINC000035425750 172193368 /nfs/dbraw/zinc/19/33/68/172193368.db2.gz JJIUGDDVOVWUJJ-UHFFFAOYSA-N -1 0 267.266 0.651 10 0 CCAERM Cc1cccc(C(=O)N2CCN(CC(=O)[O-])CC2)n1 ZINC000035680308 172351910 /nfs/dbraw/zinc/35/19/10/172351910.db2.gz VYRATJZBUAAEHO-UHFFFAOYSA-N -1 0 263.297 0.232 10 0 CCAERM CNC(=O)CNC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000035720425 172374655 /nfs/dbraw/zinc/37/46/55/172374655.db2.gz MVFHOUFGPKBXQU-UHFFFAOYSA-N -1 0 270.329 0.664 10 0 CCAERM Cc1ccccc1OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000036965853 172834130 /nfs/dbraw/zinc/83/41/30/172834130.db2.gz TWYJQFDYEIRYIL-SKDRFNHKSA-N -1 0 267.281 0.324 10 0 CCAERM CSc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000037411590 173187959 /nfs/dbraw/zinc/18/79/59/173187959.db2.gz KYVPENWPOCPCQC-VIFPVBQESA-N -1 0 282.321 0.467 10 0 CCAERM C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)C(=O)[O-] ZINC000037434669 173205364 /nfs/dbraw/zinc/20/53/64/173205364.db2.gz OIGPFNPYGFPTES-MRVPVSSYSA-N -1 0 268.313 0.224 10 0 CCAERM C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037435557 173206572 /nfs/dbraw/zinc/20/65/72/173206572.db2.gz HGZWAUCYWTZBEC-IVZWLZJFSA-N -1 0 268.313 0.224 10 0 CCAERM CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037518404 173249909 /nfs/dbraw/zinc/24/99/09/173249909.db2.gz TZRFKPGOUDIQCL-HTQZYQBOSA-N -1 0 283.305 0.749 10 0 CCAERM CS(=O)(=O)CC[S@@](=O)c1ccccc1C(=O)[O-] ZINC000037922781 173861320 /nfs/dbraw/zinc/86/13/20/173861320.db2.gz NFEWVCPZEXOEJQ-INIZCTEOSA-N -1 0 276.335 0.537 10 0 CCAERM CCN(CCC(=O)[O-])C(=O)[C@@H](CCSC)NC(N)=O ZINC000038022372 174003019 /nfs/dbraw/zinc/00/30/19/174003019.db2.gz LCWXCBDESTXTNK-MRVPVSSYSA-N -1 0 291.373 0.100 10 0 CCAERM CCN(CCC(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000038023995 174006416 /nfs/dbraw/zinc/00/64/16/174006416.db2.gz PUDUCUVDINPLBM-UHFFFAOYSA-N -1 0 282.321 0.932 10 0 CCAERM O=C([O-])C[C@H]1CCCCN1C(=O)c1c[nH]c(=O)cn1 ZINC000038025471 174009860 /nfs/dbraw/zinc/00/98/60/174009860.db2.gz XTNSYAWSMAYARK-MRVPVSSYSA-N -1 0 265.269 0.239 10 0 CCAERM O=C([O-])c1ccc2c(c1)nnn2C[C@@H]1COCCO1 ZINC000038062691 174073919 /nfs/dbraw/zinc/07/39/19/174073919.db2.gz JNCYXNQHRLKWHP-SECBINFHSA-N -1 0 263.253 0.545 10 0 CCAERM CC(C)c1nnc([N-]S(=O)(=O)N(C)C)s1 ZINC000039891628 174174428 /nfs/dbraw/zinc/17/44/28/174174428.db2.gz HPOXSQILKRCGGS-UHFFFAOYSA-N -1 0 250.349 0.880 10 0 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/nfs/dbraw/zinc/09/85/02/171098502.db2.gz FOLKJXAIXYETCJ-UHFFFAOYSA-N -1 0 275.282 0.530 10 0 CCAERM NC(=O)CC[C@@H](NC(=O)CCc1ccco1)C(=O)[O-] ZINC000020251298 171103830 /nfs/dbraw/zinc/10/38/30/171103830.db2.gz KKTPHSAMNFKLDC-SECBINFHSA-N -1 0 268.269 0.047 10 0 CCAERM CN(C)S(=O)(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000020257801 171112959 /nfs/dbraw/zinc/11/29/59/171112959.db2.gz BJNZOVISONMXLO-UHFFFAOYSA-N -1 0 262.262 0.742 10 0 CCAERM O=C([O-])c1cccc(NC(=O)c2c[nH]c(=O)cn2)c1 ZINC000020259565 171115569 /nfs/dbraw/zinc/11/55/69/171115569.db2.gz ZRJDRFFTEKJSFV-UHFFFAOYSA-N -1 0 259.221 0.720 10 0 CCAERM COCCN1C(=O)CO[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000020273324 171129070 /nfs/dbraw/zinc/12/90/70/171129070.db2.gz UMZZCWODFLMAEI-QWHCGFSZSA-N -1 0 297.282 0.825 10 0 CCAERM C[C@H](C(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000020362530 171161691 /nfs/dbraw/zinc/16/16/91/171161691.db2.gz NGMOUQNLRNBEQQ-ZCFIWIBFSA-N -1 0 257.267 0.032 10 0 CCAERM CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000020421203 171187300 /nfs/dbraw/zinc/18/73/00/171187300.db2.gz JBQLGNGJZXBUOK-HTQZYQBOSA-N -1 0 279.358 0.568 10 0 CCAERM C[C@H](C(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)NC1CCCCC1 ZINC000020421180 171187314 /nfs/dbraw/zinc/18/73/14/171187314.db2.gz RPQHOMCBZOBZIO-DTWKUNHWSA-N -1 0 291.369 0.712 10 0 CCAERM Cc1nn(C)c(C)c1-c1nnc(SCC(=O)[O-])n1N ZINC000020588481 171260084 /nfs/dbraw/zinc/26/00/84/171260084.db2.gz VIAQJURIDIQONN-UHFFFAOYSA-N -1 0 282.329 0.186 10 0 CCAERM Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1O ZINC000021957171 171341804 /nfs/dbraw/zinc/34/18/04/171341804.db2.gz FTDVPUKBGCFFMP-NXEZZACHSA-N -1 0 265.265 0.361 10 0 CCAERM COc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000021964975 171343462 /nfs/dbraw/zinc/34/34/62/171343462.db2.gz BRJYNWHJULGMAQ-GXSJLCMTSA-N -1 0 265.265 0.355 10 0 CCAERM Cc1cc(C)cc(C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000022148285 171357705 /nfs/dbraw/zinc/35/77/05/171357705.db2.gz SFBGZUZSRQPDOO-GXSJLCMTSA-N -1 0 251.282 0.867 10 0 CCAERM Cc1cccc(C(=O)N[C@H](CC(N)=O)C(=O)[O-])c1C ZINC000022163428 171364874 /nfs/dbraw/zinc/36/48/74/171364874.db2.gz DXJXYQPBTDGUJH-SNVBAGLBSA-N -1 0 264.281 0.362 10 0 CCAERM COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1OC ZINC000022169263 171367462 /nfs/dbraw/zinc/36/74/62/171367462.db2.gz HLOHAPDZHKPHFN-UWVGGRQHSA-N -1 0 295.291 0.364 10 0 CCAERM NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000022176837 171371067 /nfs/dbraw/zinc/37/10/67/171371067.db2.gz UKFROWXJVDSPNU-AXFHLTTASA-N -1 0 280.324 0.377 10 0 CCAERM Cc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])n1 ZINC000022219576 171377477 /nfs/dbraw/zinc/37/74/77/171377477.db2.gz HJVXINXNSJVSOB-WCBMZHEXSA-N -1 0 250.254 0.050 10 0 CCAERM CNS(=O)(=O)c1ccc(N[C@H](C)CC(=O)[O-])cc1 ZINC000035348799 172142855 /nfs/dbraw/zinc/14/28/55/172142855.db2.gz WPQVTEDPXUHOIW-MRVPVSSYSA-N -1 0 272.326 0.870 10 0 CCAERM C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)no1)C(=O)[O-] ZINC000035387896 172171068 /nfs/dbraw/zinc/17/10/68/172171068.db2.gz ABVMHJWBEZSBPG-SSDOTTSWSA-N -1 0 269.301 0.973 10 0 CCAERM C[C@@H]([NH2+]Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000035388913 172171330 /nfs/dbraw/zinc/17/13/30/172171330.db2.gz WWFLRZVTKNIZHC-RXMQYKEDSA-N -1 0 253.283 0.547 10 0 CCAERM CCCC[C@@H](NC(=O)C1=NNC(=O)CC1)C(=O)[O-] ZINC000035410196 172181121 /nfs/dbraw/zinc/18/11/21/172181121.db2.gz KDQWQHFNLOIKRV-MRVPVSSYSA-N -1 0 255.274 0.012 10 0 CCAERM CC(C)SCC(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000035680912 172352791 /nfs/dbraw/zinc/35/27/91/172352791.db2.gz MSNKYSATGVZMDP-UHFFFAOYSA-N -1 0 274.386 0.747 10 0 CCAERM C[C@@H](NC(=O)NC(=O)/C=C/C(=O)[O-])c1ccncc1 ZINC000035694100 172362961 /nfs/dbraw/zinc/36/29/61/172362961.db2.gz RVCBGOZACXTVCK-UFUPEUMYSA-N -1 0 263.253 0.609 10 0 CCAERM C[C@@H](NC(=O)NC(=O)/C=C/C(=O)[O-])c1ccccn1 ZINC000035695360 172363995 /nfs/dbraw/zinc/36/39/95/172363995.db2.gz RURGUTWKBJACBX-HQZHTGGTSA-N -1 0 263.253 0.609 10 0 CCAERM CC(C)N(CCO)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000036133591 172455963 /nfs/dbraw/zinc/45/59/63/172455963.db2.gz FTVZJAIYPXHODH-UHFFFAOYSA-N -1 0 276.314 0.104 10 0 CCAERM CN(CCCC(=O)[O-])C(=O)N1CCC[C@@H](CO)C1 ZINC000036228049 172525785 /nfs/dbraw/zinc/52/57/85/172525785.db2.gz ITFYJBPCDOUQQL-SNVBAGLBSA-N -1 0 258.318 0.607 10 0 CCAERM CS(=O)(=O)NCCNc1ccc(Cl)c(C(=O)[O-])n1 ZINC000036733348 172664357 /nfs/dbraw/zinc/66/43/57/172664357.db2.gz VJNIEJXUZFYOOZ-UHFFFAOYSA-N -1 0 293.732 0.394 10 0 CCAERM COc1cccc(CN(C)S(=O)(=O)NCC(=O)[O-])c1 ZINC000036983838 172850228 /nfs/dbraw/zinc/85/02/28/172850228.db2.gz MQKQGZLYKSQGSL-UHFFFAOYSA-N -1 0 288.325 0.046 10 0 CCAERM COc1ccc(CC(=O)N[C@H](C)C(=O)[O-])c(OC)c1 ZINC000037410265 173186387 /nfs/dbraw/zinc/18/63/87/173186387.db2.gz MYIWOLJVQGITAV-MRVPVSSYSA-N -1 0 267.281 0.836 10 0 CCAERM COC(=O)c1ccc(NS(=O)(=O)CC(=O)[O-])c(C)c1 ZINC000037464223 173225336 /nfs/dbraw/zinc/22/53/36/173225336.db2.gz VHUTWUIYEGDARN-UHFFFAOYSA-N -1 0 287.293 0.608 10 0 CCAERM CCOC(=O)[C@H]1CSCCN1C(=O)/C=C/C(=O)[O-] ZINC000037828245 173786185 /nfs/dbraw/zinc/78/61/85/173786185.db2.gz FIQJNLJVBJLIGD-MPJRPATESA-N -1 0 273.310 0.134 10 0 CCAERM CCN(CCO)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037836759 173794814 /nfs/dbraw/zinc/79/48/14/173794814.db2.gz WDRGLURLZIAVGU-UHFFFAOYSA-N -1 0 279.339 0.449 10 0 CCAERM CCCN(CCO)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037836828 173794832 /nfs/dbraw/zinc/79/48/32/173794832.db2.gz SLZOOBQTPJKXLL-UHFFFAOYSA-N -1 0 276.314 0.106 10 0 CCAERM CCC(CC)NC(=O)[C@@H](C)[S@](=O)CCC(=O)[O-] ZINC000037922027 173860441 /nfs/dbraw/zinc/86/04/41/173860441.db2.gz CDXMXOYIHQSFHZ-RBHXEPJQSA-N -1 0 263.359 0.903 10 0 CCAERM CC[C@H](C)[C@@H](NC(N)=O)C(=O)N(CC)CCC(=O)[O-] ZINC000038022367 174003132 /nfs/dbraw/zinc/00/31/32/174003132.db2.gz KVPUYSLQJXBQNA-WCBMZHEXSA-N -1 0 273.333 0.393 10 0 CCAERM CCN(CCC(=O)[O-])C(=O)Cc1c(C)nc(=O)[nH]c1C ZINC000038022449 174003835 /nfs/dbraw/zinc/00/38/35/174003835.db2.gz BGTNSILCPJZSOH-UHFFFAOYSA-N -1 0 281.312 0.252 10 0 CCAERM CCN(CCC(=O)[O-])C(=O)CN(C)c1ncccn1 ZINC000038023102 174004840 /nfs/dbraw/zinc/00/48/40/174004840.db2.gz KBYHQSSGBJOFAB-UHFFFAOYSA-N -1 0 266.301 0.236 10 0 CCAERM CS(=O)(=O)CCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000038046916 174056206 /nfs/dbraw/zinc/05/62/06/174056206.db2.gz ONUUFONZRFYUOK-NXEZZACHSA-N -1 0 289.353 0.204 10 0 CCAERM NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c(N)c1)C(=O)[O-] ZINC000040479035 174283552 /nfs/dbraw/zinc/28/35/52/174283552.db2.gz DKKJVRCUOYYMJV-VIFPVBQESA-N -1 0 299.714 0.371 10 0 CCAERM Cc1cc2nc(SCC(=O)[O-])n(C)c(=O)c2n1C ZINC000040538450 174321613 /nfs/dbraw/zinc/32/16/13/174321613.db2.gz BDUIDOYMRFEERN-UHFFFAOYSA-N -1 0 267.310 0.757 10 0 CCAERM COc1ccc(N(C)S(=O)(=O)CCC(=O)[O-])cc1 ZINC000041409359 174548244 /nfs/dbraw/zinc/54/82/44/174548244.db2.gz KMRHWVFGURIIDR-UHFFFAOYSA-N -1 0 273.310 0.936 10 0 CCAERM CCCN(CC(=O)NC)C(=O)N(CC(=O)[O-])C(C)C ZINC000042406959 174713025 /nfs/dbraw/zinc/71/30/25/174713025.db2.gz GWKAWEHOHLBNAL-UHFFFAOYSA-N -1 0 273.333 0.359 10 0 CCAERM CSCC[C@H](NC(=O)N(CCCO)C(C)C)C(=O)[O-] ZINC000042526812 174776969 /nfs/dbraw/zinc/77/69/69/174776969.db2.gz PODJWPNOZJTESK-JTQLQIEISA-N -1 0 292.401 0.995 10 0 CCAERM CC[C@@H]1COCCN1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000042709191 174851265 /nfs/dbraw/zinc/85/12/65/174851265.db2.gz OOWZNTYFHAGELR-NXEZZACHSA-N -1 0 258.318 0.870 10 0 CCAERM CCOC(=O)[C@@H]1CCCN1C(=O)N(C)CC(=O)[O-] ZINC000042727983 174857674 /nfs/dbraw/zinc/85/76/74/174857674.db2.gz YMCLROFNSSPUGJ-QMMMGPOBSA-N -1 0 258.274 0.150 10 0 CCAERM CCCNC(=O)[C@H](C)NC(=O)/C(C)=C(/C)C(=O)[O-] ZINC000071164918 176047322 /nfs/dbraw/zinc/04/73/22/176047322.db2.gz TVYFKXWXJYRVMV-FUOZMLNRSA-N -1 0 256.302 0.438 10 0 CCAERM CC[C@@H]1CCCN1C(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000071337934 176128597 /nfs/dbraw/zinc/12/85/97/176128597.db2.gz DYOVKVHKJMFJMN-BDAKNGLRSA-N -1 0 272.301 0.587 10 0 CCAERM [NH3+][C@H](Cc1cc(CO)ccc1CCC(=O)[O-])C(=O)[O-] ZINC000072126871 176320692 /nfs/dbraw/zinc/32/06/92/176320692.db2.gz ZBSCTCXYRTWHMN-LLVKDONJSA-N -1 0 267.281 0.151 10 0 CCAERM O=C([O-])CC[C@H]1CN(CCN2CCOCC2)C(=O)O1 ZINC000076413893 177021507 /nfs/dbraw/zinc/02/15/07/177021507.db2.gz VFPZZJZZYRFSKF-JTQLQIEISA-N -1 0 272.301 0.004 10 0 CCAERM O=C([O-])[C@@H]1CC(=O)NN(C(=O)OCc2ccccc2)C1 ZINC000685949875 545872280 /nfs/dbraw/zinc/87/22/80/545872280.db2.gz VEUWIAUSGDMCHB-SNVBAGLBSA-N -1 0 278.264 0.761 10 0 CCAERM C[C@@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)N=S2(=O)CCOCC2)C1 ZINC000725261188 545882447 /nfs/dbraw/zinc/88/24/47/545882447.db2.gz UANRJWROVSQHNI-GUBZILKMSA-N -1 0 289.353 0.758 10 0 CCAERM CCC[C@H](C)C(=O)NCCOCCOCC(=O)[O-] ZINC000725265224 545884754 /nfs/dbraw/zinc/88/47/54/545884754.db2.gz RHBVFLWTUKNDAT-JTQLQIEISA-N -1 0 261.318 0.657 10 0 CCAERM O=C([O-])c1cc(S(=O)(=O)CC2CC2)c[nH]c1=O ZINC000725268499 545886381 /nfs/dbraw/zinc/88/63/81/545886381.db2.gz SPOBGJCXOAXIBR-UHFFFAOYSA-N -1 0 257.267 0.669 10 0 CCAERM O=C([O-])c1cc(S(=O)(=O)C2CCC2)c[nH]c1=O ZINC000725268599 545887026 /nfs/dbraw/zinc/88/70/26/545887026.db2.gz WPFAUPDVKMNQLV-UHFFFAOYSA-N -1 0 257.267 0.812 10 0 CCAERM O=C([O-])CCCS(=O)(=O)NC[C@H]1CCCC[C@H]1O ZINC000085977564 544496595 /nfs/dbraw/zinc/49/65/95/544496595.db2.gz OVEALKCKLQESQQ-NXEZZACHSA-N -1 0 279.358 0.322 10 0 CCAERM COCCN(CC(=O)[O-])C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000092494188 544534692 /nfs/dbraw/zinc/53/46/92/544534692.db2.gz IXXKBKLTMXYJSI-VHSXEESVSA-N -1 0 274.317 0.297 10 0 CCAERM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC000127644055 544606883 /nfs/dbraw/zinc/60/68/83/544606883.db2.gz XYMMUXUAJWAKCO-SSDOTTSWSA-N -1 0 283.313 0.064 10 0 CCAERM C[C@@](NC(=O)[C@@H]1CNC(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000134865245 544631920 /nfs/dbraw/zinc/63/19/20/544631920.db2.gz BFWUTKZBHPTPDN-XPTSAGLGSA-N -1 0 276.292 0.239 10 0 CCAERM C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000149306095 544645985 /nfs/dbraw/zinc/64/59/85/544645985.db2.gz REAVVXLXUQHRQW-XPUUQOCRSA-N -1 0 291.350 0.902 10 0 CCAERM 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C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC000723236384 978176739 /nfs/dbraw/zinc/17/67/39/978176739.db2.gz OGGMGYQVYSDBRT-YUMQZZPRSA-N -1 0 289.309 0.369 10 0 CCAERM COC1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC000723252881 978182167 /nfs/dbraw/zinc/18/21/67/978182167.db2.gz CIQLVFPNPKELBD-WAAGHKOSSA-N -1 0 277.342 0.290 10 0 CCAERM O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2CC(F)(F)C2)C1 ZINC000723268066 978190149 /nfs/dbraw/zinc/19/01/49/978190149.db2.gz JXYGANGJHQKYLZ-OCAPTIKFSA-N -1 0 283.296 0.814 10 0 CCAERM CC[C@H](COC)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000723274994 978193564 /nfs/dbraw/zinc/19/35/64/978193564.db2.gz QNOOIOSHKSELJC-HLTSFMKQSA-N -1 0 265.331 0.194 10 0 CCAERM CC[C@H](CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)OC ZINC000723277958 978195953 /nfs/dbraw/zinc/19/59/53/978195953.db2.gz UGDGGTMSOMPSEE-HLTSFMKQSA-N -1 0 265.331 0.194 10 0 CCAERM CC1(C)OCC[C@H]1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000723282678 978196888 /nfs/dbraw/zinc/19/68/88/978196888.db2.gz PTLQJSLEOCODDM-LPEHRKFASA-N -1 0 291.369 0.584 10 0 CCAERM CN(Cc1ccn(C)n1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000723506338 978212121 /nfs/dbraw/zinc/21/21/21/978212121.db2.gz PWJHBUBGKKGMNS-UHFFFAOYSA-N -1 0 274.280 0.786 10 0 CCAERM COC[C@]1(C(=O)[O-])CCCN1Cc1nn(C)cc1C ZINC000723961988 978221714 /nfs/dbraw/zinc/22/17/14/978221714.db2.gz AWFPJSZGSLQQEX-ZDUSSCGKSA-N -1 0 267.329 0.794 10 0 CCAERM Cn1nc(C(=O)[O-])cc1NC(=O)C[C@H]1CCCO1 ZINC000724770164 978241846 /nfs/dbraw/zinc/24/18/46/978241846.db2.gz XCOSPWPAMNJHCS-SSDOTTSWSA-N -1 0 253.258 0.626 10 0 CCAERM Cn1ncc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c1N ZINC000725147492 978254136 /nfs/dbraw/zinc/25/41/36/978254136.db2.gz VFQGWZOUJRXEND-QMMMGPOBSA-N -1 0 266.301 0.233 10 0 CCAERM Cn1nc(N)cc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000725174072 978255900 /nfs/dbraw/zinc/25/59/00/978255900.db2.gz HRJHWSOPSJOREZ-MRVPVSSYSA-N -1 0 266.301 0.233 10 0 CCAERM CCC[C@@](C)(NC(=O)c1cc(N)n(C)n1)C(=O)[O-] ZINC000725191453 978257094 /nfs/dbraw/zinc/25/70/94/978257094.db2.gz QYNNRPBQVALMBC-LLVKDONJSA-N -1 0 254.290 0.376 10 0 CCAERM CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000725217349 978258948 /nfs/dbraw/zinc/25/89/48/978258948.db2.gz HROIGSPAOLEOHD-CBAPKCEASA-N -1 0 282.300 0.759 10 0 CCAERM Cn1nc(NC(=O)NC[C@@H]2CCCOC2)cc1C(=O)[O-] ZINC000725217910 978260181 /nfs/dbraw/zinc/26/01/81/978260181.db2.gz UMQMAHSIVCXQNA-QMMMGPOBSA-N -1 0 282.300 0.666 10 0 CCAERM COCCCCNC(=O)Nc1c(C(=O)[O-])cnn1C ZINC000725222338 978267144 /nfs/dbraw/zinc/26/71/44/978267144.db2.gz NWWGZGIRNFPHTG-UHFFFAOYSA-N -1 0 270.289 0.666 10 0 CCAERM Cn1nc(NC(=O)N[C@@H]2CC23CC3)cc1C(=O)[O-] ZINC000725222455 978267264 /nfs/dbraw/zinc/26/72/64/978267264.db2.gz DWHUQANDIWZDRK-SSDOTTSWSA-N -1 0 250.258 0.792 10 0 CCAERM COC(=O)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000725224208 978270918 /nfs/dbraw/zinc/27/09/18/978270918.db2.gz RCJWAIYHRNMGNX-ZCFIWIBFSA-N -1 0 284.272 0.191 10 0 CCAERM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)n1)OC ZINC000725226155 978274004 /nfs/dbraw/zinc/27/40/04/978274004.db2.gz HEXLLZRBVSXIFB-SSDOTTSWSA-N -1 0 270.289 0.665 10 0 CCAERM Cn1ncc(C(=O)[O-])c1NC(=O)NCC1=CCOCC1 ZINC000725231019 978281604 /nfs/dbraw/zinc/28/16/04/978281604.db2.gz BWMBZYHHFKOSIK-UHFFFAOYSA-N -1 0 280.284 0.587 10 0 CCAERM Cn1ncc(C(=O)[O-])c1NC(=O)N1CCC[C@H](O)C1 ZINC000725235454 978288094 /nfs/dbraw/zinc/28/80/94/978288094.db2.gz SVOGVVSQXNYVFV-ZETCQYMHSA-N -1 0 268.273 0.107 10 0 CCAERM CC(C)(C)n1cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cn1 ZINC000822249380 978928723 /nfs/dbraw/zinc/92/87/23/978928723.db2.gz GGMNADZVTOLRDO-WDEREUQCSA-N -1 0 267.329 0.658 10 0 CCAERM CCCCS(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000092778653 349505371 /nfs/dbraw/zinc/50/53/71/349505371.db2.gz BMVBDFYBHIVNNN-JTQLQIEISA-N -1 0 287.341 0.351 10 0 CCAERM NS(=O)(=O)c1ccc2c(c1)[C@H](C(=O)[O-])CCO2 ZINC000082643187 178141688 /nfs/dbraw/zinc/14/16/88/178141688.db2.gz OKSQLTARKNGCRU-SSDOTTSWSA-N -1 0 257.267 0.285 10 0 CCAERM CN(C)C(=O)c1ccc(NC(=O)Cc2nnn[n-]2)cc1 ZINC000095179238 349595085 /nfs/dbraw/zinc/59/50/85/349595085.db2.gz JVHIDQOINNYKGZ-UHFFFAOYSA-N -1 0 274.284 0.083 10 0 CCAERM Cn1nnc(Br)c1-c1nc(C(=O)[O-])no1 ZINC000307164431 581106447 /nfs/dbraw/zinc/10/64/47/581106447.db2.gz KAJPATRARPUWSO-UHFFFAOYSA-N -1 0 274.034 0.326 10 0 CCAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NC[C@@H]1CCOC1)C2 ZINC000263061837 137057456 /nfs/dbraw/zinc/05/74/56/137057456.db2.gz SDXQMUOYVNMNEP-COPLHBTASA-N -1 0 282.340 0.919 10 0 CCAERM CCCNC(=O)CN(CCC)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000261972284 137027209 /nfs/dbraw/zinc/02/72/09/137027209.db2.gz BKMWGIZQBMAJRT-QWRGUYRKSA-N -1 0 284.356 0.862 10 0 CCAERM C/C=C/C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-] ZINC000263288601 137063095 /nfs/dbraw/zinc/06/30/95/137063095.db2.gz QILUHMDCSKOPSO-OKWQPMOJSA-N -1 0 268.313 0.390 10 0 CCAERM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263459163 137066402 /nfs/dbraw/zinc/06/64/02/137066402.db2.gz PPEAVZVOPSFYHW-GXFFZTMASA-N -1 0 292.335 0.665 10 0 CCAERM C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)NCc2ccccc2)C1 ZINC000263474960 137066823 /nfs/dbraw/zinc/06/68/23/137066823.db2.gz IXPFWOHCXGHJKQ-CYBMUJFWSA-N -1 0 298.364 0.818 10 0 CCAERM CCN(CC)c1nc(-c2nnn[n-]2)nc(N(CC)CC)n1 ZINC000000098823 347938826 /nfs/dbraw/zinc/93/88/26/347938826.db2.gz CZTUKRUNAVJHOD-UHFFFAOYSA-N -1 0 291.363 0.744 10 0 CCAERM Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000013028666 348024723 /nfs/dbraw/zinc/02/47/23/348024723.db2.gz MKFWTBKTCFTUGM-QWRGUYRKSA-N -1 0 299.348 0.512 10 0 CCAERM O=C([O-])C[C@H]1[C@H](c2ccccc2O)C[NH2+][C@@H]1C(=O)[O-] ZINC000027856701 348102230 /nfs/dbraw/zinc/10/22/30/348102230.db2.gz JSMYHXFFKXKZRN-AUTRQRHGSA-N -1 0 265.265 0.623 10 0 CCAERM COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)cnn1 ZINC000034746456 348151532 /nfs/dbraw/zinc/15/15/32/348151532.db2.gz XRFNUSMMTVTEOI-UHFFFAOYSA-N -1 0 280.309 0.868 10 0 CCAERM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000034938338 348152740 /nfs/dbraw/zinc/15/27/40/348152740.db2.gz KYOHNAKZLDQETJ-CLZZGJSISA-N -1 0 299.757 0.514 10 0 CCAERM CN(C(=O)N[C@H](CCC(N)=O)C(=O)[O-])C1CCCCC1 ZINC000040549253 348238140 /nfs/dbraw/zinc/23/81/40/348238140.db2.gz NRXWYSLVLBWLSK-SNVBAGLBSA-N -1 0 285.344 0.679 10 0 CCAERM O=C([O-])CC1CCN(C(=O)Cc2ccnnc2)CC1 ZINC000042750806 348293271 /nfs/dbraw/zinc/29/32/71/348293271.db2.gz GFIKCFOJRZBVGT-UHFFFAOYSA-N -1 0 263.297 0.732 10 0 CCAERM CCCO/C(=N/NC(=O)c1ccncc1)C(=O)[O-] ZINC000048523911 348413687 /nfs/dbraw/zinc/41/36/87/348413687.db2.gz UVPKMHNAWNMHAM-GXDHUFHOSA-N -1 0 251.242 0.636 10 0 CCAERM CCN(CC)S(=O)(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070555878 348892922 /nfs/dbraw/zinc/89/29/22/348892922.db2.gz VGARISBZAPQRFJ-ZJUUUORDSA-N -1 0 278.374 0.806 10 0 CCAERM COC(=O)C[C@H](NC(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000071337749 348907986 /nfs/dbraw/zinc/90/79/86/348907986.db2.gz NAZLXRBFWGCMIK-GUBZILKMSA-N -1 0 286.328 0.975 10 0 CCAERM CCOC(=O)CCC(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC000104271545 185950264 /nfs/dbraw/zinc/95/02/64/185950264.db2.gz VFFNSILHMOOJEI-SFYZADRCSA-N -1 0 275.326 0.704 10 0 CCAERM O=C([O-])CS(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000084947936 349330215 /nfs/dbraw/zinc/33/02/15/349330215.db2.gz BAPPYANEFATLRU-UHFFFAOYSA-N -1 0 250.222 0.964 10 0 CCAERM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C)O1 ZINC000121248166 350029341 /nfs/dbraw/zinc/02/93/41/350029341.db2.gz BQHIEUFASNAURQ-HZGVNTEJSA-N -1 0 288.325 0.664 10 0 CCAERM COCc1cc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])no1 ZINC000090253270 179940037 /nfs/dbraw/zinc/94/00/37/179940037.db2.gz RCOPIUGBANBIJK-OIBJUYFYSA-N -1 0 284.268 0.135 10 0 CCAERM O=C([O-])[C@H]1CSCN1C(=O)NCc1cscn1 ZINC000104433762 186000396 /nfs/dbraw/zinc/00/03/96/186000396.db2.gz XJERWSXJPGBSNB-SSDOTTSWSA-N -1 0 273.339 0.812 10 0 CCAERM O=c1[n-]c(=O)n(CCc2ccccc2)nc1Br ZINC000143908240 350460991 /nfs/dbraw/zinc/46/09/91/350460991.db2.gz WMJFYCUMKSICCQ-UHFFFAOYSA-N -1 0 296.124 0.937 10 0 CCAERM Cc1cc(C(=O)[N-]S(=O)(=O)C2COC2)c(C)n1C ZINC000408475367 137895416 /nfs/dbraw/zinc/89/54/16/137895416.db2.gz DJJSEQCHRCDODN-UHFFFAOYSA-N -1 0 272.326 0.100 10 0 CCAERM CCN(CCC(=O)[O-])c1c(C(N)=O)c(C)nn1C ZINC000111349348 186403560 /nfs/dbraw/zinc/40/35/60/186403560.db2.gz MAICNFOJFVFCOU-UHFFFAOYSA-N -1 0 254.290 0.128 10 0 CCAERM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@@H]13)O2 ZINC000225446909 352005521 /nfs/dbraw/zinc/00/55/21/352005521.db2.gz ZIXZUJGRFYPACJ-GOBQNSBTSA-N -1 0 279.292 0.032 10 0 CCAERM O=C([O-])c1cccc(NC(=O)C(=S)N2CCOCC2)c1 ZINC000256030053 352546258 /nfs/dbraw/zinc/54/62/58/352546258.db2.gz IULKNPFWBDEVDM-UHFFFAOYSA-N -1 0 294.332 0.983 10 0 CCAERM C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000252739250 352524142 /nfs/dbraw/zinc/52/41/42/352524142.db2.gz FNIKWSFZUDHOKR-ZDCRXTMVSA-N -1 0 253.298 0.947 10 0 CCAERM C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(F)cc1[O-] ZINC000282320572 353412792 /nfs/dbraw/zinc/41/27/92/353412792.db2.gz VYEOFLYNDRSGFL-XCBNKYQSSA-N -1 0 266.272 0.928 10 0 CCAERM O=C([O-])CSC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000306805828 354177345 /nfs/dbraw/zinc/17/73/45/354177345.db2.gz IIHDQNVNVBJCSR-MRVPVSSYSA-N -1 0 295.316 0.461 10 0 CCAERM CSC[C@](C)(O)C[N-]S(=O)(=O)CC(F)(F)F ZINC000332484012 354684774 /nfs/dbraw/zinc/68/47/74/354684774.db2.gz PEJXMIXNVKUFNQ-ZCFIWIBFSA-N -1 0 281.321 0.582 10 0 CCAERM CC(C)C[C@@H](CO)[N-]S(=O)(=O)CC(F)(F)F ZINC000332514118 354690932 /nfs/dbraw/zinc/69/09/32/354690932.db2.gz ZCJZPJMFBDENKY-ZETCQYMHSA-N -1 0 263.281 0.875 10 0 CCAERM O=C([O-])[C@H](NC(=O)N1CCSCC1)C1CCC1 ZINC000334527315 354887817 /nfs/dbraw/zinc/88/78/17/354887817.db2.gz XDHSMSDDCOPQIU-SECBINFHSA-N -1 0 258.343 0.998 10 0 CCAERM Cc1ncncc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000407974625 137817883 /nfs/dbraw/zinc/81/78/83/137817883.db2.gz CNQBYDFUKSCJPC-JTQLQIEISA-N -1 0 299.352 0.414 10 0 CCAERM O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)CCn1cncn1)C2 ZINC000366937578 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